(2-hydroxy-2-phenyl-2-pyridin-2-ylethyl) (3S)-1-ethylpiperidine-3-carboxylate

C21H26N2O3 — CID 70340569

IUPAC(2-hydroxy-2-phenyl-2-pyridin-2-ylethyl) (3S)-1-ethylpiperidine-3-carboxylate
SMILESCCN1CCC[C@H](C(=O)OCC(O)(c2ccccc2)c2ccccn2)C1
InChIInChI=1S/C21H26N2O3/c1-2-23-14-8-9-17(15-23)20(24)26-16-21(25,18-10-4-3-5-11-18)19-12-6-7-13-22-19/h3-7,10-13,17,25H,2,8-9,14-16H2,1H3/t17-,21?/m0/s1
InChIKeyVICOJRCGPZXLST-PBVYKCSPSA-N
MW354.45 g/mol
LogP2.59
Rot. Bonds6

About (2-hydroxy-2-phenyl-2-pyridin-2-ylethyl) (3S)-1-ethylpiperidine-3-carboxylate

(2-hydroxy-2-phenyl-2-pyridin-2-ylethyl) (3S)-1-ethylpiperidine-3-carboxylate (PubChem CID 70340569) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2-hydroxy-2-phenyl-2-pyridin-2-ylethyl) (3S)-1-ethylpiperidine-3-carboxylate.

Molecular Properties

Compound Name(2-hydroxy-2-phenyl-2-pyridin-2-ylethyl) (3S)-1-ethylpiperidine-3-carboxylate
PubChem CID70340569
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(2-hydroxy-2-phenyl-2-pyridin-2-ylethyl) (3S)-1-ethylpiperidine-3-carboxylate
SMILESCCN1CCC[C@H](C(=O)OCC(O)(c2ccccc2)c2ccccn2)C1
InChIInChI=1S/C21H26N2O3/c1-2-23-14-8-9-17(15-23)20(24)26-16-21(25,18-10-4-3-5-11-18)19-12-6-7-13-22-19/h3-7,10-13,17,25H,2,8-9,14-16H2,1H3/t17-,21?/m0/s1
InChIKeyVICOJRCGPZXLST-PBVYKCSPSA-N
XLogP2.59
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3S)-1-(2-hydroxy-2-phenylpropyl)piperidine-3-carboxylate
CID 79037956
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
ethyl 1-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]piperidine-3-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171671712
ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride
CID 6603291
ethyl (3S)-1-(2-cyano-2-phenylethyl)piperidine-3-carboxylate
CID 115536524
ethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate
CID 31314529
3-[[(3S)-3-ethoxycarbonylpiperidin-1-yl]methyl]benzoic acid
CID 122028809
ethyl (3S)-1-[(8-hydroxyquinolin-5-yl)methyl]piperidine-3-carboxylate
CID 698137
ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylate
CID 2846092
(1S)-1-phenyl-1-pyridin-2-ylpropan-1-ol
CID 12522815
ethyl (3R)-1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 81338802
ethyl 1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-3-carboxylate
CID 24593743

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-phenyl-2-pyridin-2-ylethyl) (3S)-1-ethylpiperidine-3-carboxylate?
The IUPAC name of (2-hydroxy-2-phenyl-2-pyridin-2-ylethyl) (3S)-1-ethylpiperidine-3-carboxylate (CID 70340569) is (2-hydroxy-2-phenyl-2-pyridin-2-ylethyl) (3S)-1-ethylpiperidine-3-carboxylate.
What is the SMILES notation for (2-hydroxy-2-phenyl-2-pyridin-2-ylethyl) (3S)-1-ethylpiperidine-3-carboxylate?
The canonical SMILES for (2-hydroxy-2-phenyl-2-pyridin-2-ylethyl) (3S)-1-ethylpiperidine-3-carboxylate is CCN1CCC[C@H](C(=O)OCC(O)(c2ccccc2)c2ccccn2)C1.
What is the InChIKey of (2-hydroxy-2-phenyl-2-pyridin-2-ylethyl) (3S)-1-ethylpiperidine-3-carboxylate?
The InChIKey is VICOJRCGPZXLST-PBVYKCSPSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-2-23-14-8-9-17(15-23)20(24)26-16-21(25,18-10-4-3-5-11-18)19-12-6-7-13-22-19/h3-7,10-13,17,25H,2,8-9,14-16H2,1H3/t17-,21?/m0/s1.
What are the key properties of (2-hydroxy-2-phenyl-2-pyridin-2-ylethyl) (3S)-1-ethylpiperidine-3-carboxylate?
(2-hydroxy-2-phenyl-2-pyridin-2-ylethyl) (3S)-1-ethylpiperidine-3-carboxylate has a molecular weight of 354.45 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-phenyl-2-pyridin-2-ylethyl) (3S)-1-ethylpiperidine-3-carboxylate is sourced from PubChem (CID 70340569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).